8018-2964 Screening compound: 4-(1,3-benzothiazol-2-yl)-2-methylaniline

8018-2964 Screening compound: 4-(1,3-benzothiazol-2-yl)-2-methylaniline
8018-2964 Screening compound: 4-(1,3-benzothiazol-2-yl)-2-methylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2964
4-(1,3-benzothiazol-2-yl)-2-methylaniline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8018-2964

Molecular Formula

C14H12N2S (C14 H12 N2 S)

Compound Name

4-(1,3-benzothiazol-2-yl)-2-methylaniline

IUPAC name

4-(13-benzothiazol-2-yl)-2-methylaniline

SMILES

Cc(cc(cc1)-c2nc(cccc3)c3s2)c1N

InChI

InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3

InChI Key

IDBCUMFOZBUJCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00950805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.33

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.66

Polar Surface Area

29.783

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8018-2964 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-2964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2964?
Check Price and Availability of 8018-2964, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-2964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2964
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8018-2964 available by request